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canSAR20494
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NAMES
    SMILES
    CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(NC(=O)[C@H](SC(=O)c2ccccn2)C(C)C)CCCC1
    InChI
    InChI=1S/C28H35N3O6S/c1-4-37-25(34)22(17-19-10-12-20(32)13-11-19)30-27(36)28(14-6-7-15-28)31-24(33)23(18(2)3)38-26(35)21-9-5-8-16-29-21/h5,8-13,16,18,22-23,32H,4,6-7,14-15,17H2,1-3H3,(H,30,36)(H,31,33)/t22-,23+/m0/s1
    MOLECULAR FORMULA
    C28H35N3O6S
    CROSS REFERENCES
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    canSAR20494

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 541.22
    AlogP 3.40
    HBond donors 3
    HBond acceptors 9
    Atoms 73
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR20494.